The oxygen reduction reaction (ORR) catalyst plays a critical role in enhancing fuel cell efficiency, making it a key focus in material science research. However, extracting structured information about ORR catalysts from vast scientific literature remains a significant challenge due to the complexity and diversity of textual data. In this study, we propose a named entity recognition (NER) and relation extraction (RE) approach using DyGIE++ with multiple pre-trained BERT variants, including MatSciBERT and PubMedBERT, to extract ORR catalyst-related information from the scientific literature, which is compiled into a fuel cell corpus for materials informatics (FC-CoMIcs). A comprehensive dataset was constructed manually by identifying 12 critical entities and two relationship types between pairs of the entities. Our methodology involves data annotation, integration, and fine-tuning of transformer-based models to enhance information extraction accuracy. We assess the impact of different BERT variants on extraction performance and investigate the effects of annotation consistency. Experimental evaluations demonstrate that the fine-tuned PubMedBERT model achieves the highest NER F1-score of 82.19% and the MatSciBERT model attains the best RE F1-score of 66.10%. Furthermore, the comparison with human annotators highlights the reliability of fine-tuned models for ORR catalyst extraction, demonstrating their potential for scalable and automated literature analysis. The results indicate that domain-specific BERT models outperform general scientific models like BlueBERT for ORR catalyst extraction.

Previous work has showcased the intriguing capabilities of Large Language Models (LLMs) in instruction-following and rhetorical fluency. However, systematic exploration of their dual capabilities to autonomously persuade and resist persuasion, particularly in contexts involving psychological rhetoric, remains unexplored. In this paper, we first evaluate four commonly adopted LLMs by tasking them to alternately act as persuaders and listeners in adversarial dialogues. Empirical results show that persuader LLMs predominantly employ repetitive strategies, leading to low success rates. Then we introduce eleven comprehensive psychological persuasion strategies, finding that explicitly instructing LLMs to adopt specific strategies such as Fluency Effect and Repetition Effect significantly improves persuasion success rates. However, no ``one-size-fits-all'' strategy proves universally effective, with performance heavily dependent on contextual counterfactuals. Motivated by these observations, we propose an adaptive framework based on direct preference optimization that trains LLMs to autonomously select optimal strategies by leveraging persuasion results from strategy-specific responses as preference pairs. Experiments on three open-source LLMs confirm that the proposed adaptive psychological persuasion method effectively enables persuader LLMs to select optimal strategies, significantly enhancing their success rates while maintaining general capabilities. Our code is available at https://github.com/KalinaEine/PsychologicalPersuasion.

The advancement of machine learning and the availability of large-scale reaction datasets have accelerated the development of data-driven models for computer-aided synthesis planning (CASP) in the past decade. Here, we detail the newest version of ASKCOS, an open source software suite for synthesis planning that makes available several research advances in a freely available, practical tool. Four one-step retrosynthesis models form the basis of both interactive planning and automatic planning modes. Retrosynthetic planning is complemented by other modules for feasibility assessment and pathway evaluation, including reaction condition recommendation, reaction outcome prediction, and auxiliary capabilities such as solubility prediction and quantum mechanical descriptor prediction. ASKCOS has assisted hundreds of medicinal, synthetic, and process chemists in their day-to-day tasks, complementing expert decision making. It is our belief that CASP tools like ASKCOS are an important part of modern chemistry research, and that they offer ever-increasing utility and accessibility.

Research in cultural evolution aims at providing causal explanations for the change of culture over time. Over the past decades, this field has generated an important body of knowledge, using experimental, historical, and computational methods. While computational models have been very successful at generating testable hypotheses about the effects of several factors, such as population structure or transmission biases, some phenomena have so far been more complex to capture using agent-based and formal models. This is in particular the case for the effect of the transformations of social information induced by evolved cognitive mechanisms. We here propose that leveraging the capacity of Large Language Models (LLMs) to mimic human behavior may be fruitful to address this gap. On top of being an useful approximation of human cultural dynamics, multi-agents models featuring generative agents are also important to study for their own sake. Indeed, as artificial agents are bound to participate more and more to the evolution of culture, it is crucial to better understand the dynamics of machine-generated cultural evolution. We here present a framework for simulating cultural evolution in populations of LLMs, allowing the manipulation of variables known to be important in cultural evolution, such as network structure, personality, and the way social information is aggregated and transformed. The software we developed for conducting these simulations is open-source and features an intuitive user-interface, which we hope will help to build bridges between the fields of cultural evolution and generative artificial intelligence.

In the field of materials science, microscopy is the first and often only accessible method for structural characterization. There is a growing interest in the development of machine learning methods that can automate the analysis and interpretation of microscopy images. Typically training of machine learning models requires large numbers of images with associated structural labels, however, manual labeling of images requires domain knowledge and is prone to human error and subjectivity. To overcome these limitations, we present a semi-supervised transfer learning approach that uses a small number of labeled microscopy images for training and performs as effectively as methods trained on significantly larger image datasets. Specifically, we train an image encoder with unlabeled images using self-supervised learning methods and use that encoder for transfer learning of different downstream image tasks (classification and segmentation) with a minimal number of labeled images for training. We test the transfer learning ability of two self-supervised learning methods: SimCLR and Barlow-Twins on transmission electron microscopy (TEM) images. We demonstrate in detail how this machine learning workflow applied to TEM images of protein nanowires enables automated classification of nanowire morphologies (e.g., single nanowires, nanowire bundles, phase separated) as well as segmentation tasks that can serve as groundwork for quantification of nanowire domain sizes and shape analysis. We also extend the application of the machine learning workflow to classification of nanoparticle morphologies and identification of different type of viruses from TEM images.

This article was written by Tirthajyoti Sarkar. Thanks to my CS7641 class at Georgia Tech in my MS Analytics program, where I discovered this concept and was inspired to write about it. It is somewhat surprising that among all the high-flying buzzwords of machine learning, we don't hear much about the one phrase which fuses some of the core concepts of statistical learning, information theory, and natural philosophy into a single three-word-combo. Moreover, it is not just an obscure and pedantic phrase meant for machine learning (ML) Ph.Ds and theoreticians. It has a precise and easily accessible meaning for anyone interested to explore, and a practical pay-off for the practitioners of ML and data science.

I first came across the legend of Hinton in a fabulous book by Cade Metz called Genius Makers, where he detailed the lives of those who shaped AI, foremost among them being Hinton. After studying psychology at Cambridge and AI at the University of Edinburgh, Hinton went back to something which had fascinated him even as a child: How the human brain stored memories, and how it worked. He was one of the first researchers who started working on'mimicking' the human brain with computer hardware and software, thus constructing a newer and purer form of AI, which we now call'deep learning'. He started doing this in the 1980s, along with an intrepid bunch of students. His PhD thesis, titled Deep Neural Networks for Acoustic Modelling in Speech Recognition, demonstrated how deep neural networks outclassed older machine learning models like Hidden Markovs and Gaussian Mixtures at identifying speech patterns.

… oldest learned society recognises UNSW professors for their work in the fields of artificial intelligence and ceramic science engineering.

Recent developments in computational physiology have effectively exploited advanced signal processing and artificial intelligence tools for uncovering characteristic features of physiological and pathological states in humans. While these advanced tools have demonstrated better-than-human diagnostic capabilities, the high complexity of these computational'black boxes' may severely limit scientific inference, especially in terms of biological insights on disease mechanisms. This theme issue highlights challenges and opportunities of advanced computational tools for processing series comprehensive of autonomic nervous system dynamics, with a more specific focus on cardiovascular control physiology and pathology. Such a wide panoramic perspective highlights the issues of specificity in heartbeat-related features and fosters the transition from the black-box paradigm to interpretable and personalised clinical models in cardiology research. This issue will soon be available to buy in print.

Symbiotic Autonomous Systems (SAS) are advanced intelligent and cognitive systems exhibiting autonomous collective intelligence enabled by coherent symbiosis of human-machine interactions in hybrid societies. Basic research in the emerging field of SAS has triggered advanced general AI technologies functioning without human intervention or hybrid symbiotic systems synergizing humans and intelligent machines into coherent cognitive systems. This work presents a theoretical framework of SAS underpinned by the latest advances in intelligence, cognition, computer, and system sciences. SAS are characterized by the composition of autonomous and symbiotic systems that adopt bio-brain-social-inspired and heterogeneously synergized structures and autonomous behaviors. This paper explores their cognitive and mathematical foundations. The challenge to seamless human-machine interactions in a hybrid environment is addressed. SAS-based collective intelligence is explored in order to augment human capability by autonomous machine intelligence towards the next generation of general AI, autonomous computers, and trustworthy mission-critical intelligent systems. Emerging paradigms and engineering applications of SAS are elaborated via an autonomous knowledge learning system that symbiotically works between humans and cognitive robots.